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    • On the Inhibitability of Natural Products Isolated from Tetradium ruticarpum towards Tyrosine Phosphatase 1B (PTP1B) and ?-Glucosidase (3W37): An In Vitro and In Silico Study
    Authors: Dao-Cuong To; Thanh Q. Bui; Nguyen Thi Ai Nhung; Quoc-Toan Tran; Thi-Thuy Do; Manh-Hung Tran; Phan-Phuoc Hien; Truong-Nhan Ngu; Phan-Tu Quy; The-Hung Nguyen; Huu-Tho Nguyen; Tien-Dung Nguyen; Phi-Hung Nguyen;  Advisor: -;  Co-Author: - (2021)

    Folk experiences suggest natural products in Tetradium ruticarpum can be effective inhibitors towards diabetes-related enzymes. The compounds were experimentally isolated, structurally elucidated, and tested in vitro for their inhibition effects on tyrosine phosphatase 1B (PTP1B) and ?-glucosidase (3W37). Density functional theory and molecular docking techniques were utilized as computational methods to predict the stability of the ligands and simulate interaction between the studied inhibitory agents and the targeted proteins. Structural elucidation identifies two natural products: 2-heptyl-1-methylquinolin-4-one (1) and 3-[4-(4-methylhydroxy-2-butenyloxy)-phenyl]-2-propenol (2). In...